N'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide

C15H10ClN3O2 — CID 108500274

IUPACN'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide
SMILESN#Cc1ccc(NC(=O)C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C15H10ClN3O2/c16-12-3-1-2-4-13(12)19-15(21)14(20)18-11-7-5-10(9-17)6-8-11/h1-8H,(H,18,20)(H,19,21)
InChIKeySRKWQCLTOAGZEA-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.79
Rot. Bonds2

About N'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide

N'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide (PubChem CID 108500274) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide
PubChem CID108500274
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC NameN'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide
SMILESN#Cc1ccc(NC(=O)C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C15H10ClN3O2/c16-12-3-1-2-4-13(12)19-15(21)14(20)18-11-7-5-10(9-17)6-8-11/h1-8H,(H,18,20)(H,19,21)
InChIKeySRKWQCLTOAGZEA-UHFFFAOYSA-N
XLogP2.79
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
CID 108501554
N-(2-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108968904
N'-(4-amino-2-chlorophenyl)-N-(4-cyanophenyl)oxamide
CID 108515972
N'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide
CID 108519483
N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500250
3-(2-chlorophenyl)-1-(4-cyanophenyl)-1-methylurea
CID 62981730
N-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide
CID 108501543
1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea
CID 107808221
6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850016
N-(4-cyanophenyl)prop-2-ynamide
CID 131045774
1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea
CID 62105247
N-(3-chloro-2-methylphenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969063

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide?
The IUPAC name of N'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide (CID 108500274) is N'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide is N#Cc1ccc(NC(=O)C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide?
The InChIKey is SRKWQCLTOAGZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-12-3-1-2-4-13(12)19-15(21)14(20)18-11-7-5-10(9-17)6-8-11/h1-8H,(H,18,20)(H,19,21).
What are the key properties of N'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide?
N'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide has a molecular weight of 299.72 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide is sourced from PubChem (CID 108500274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).